SCHEMBL4903069

SCHEMBL4903069

Cc1nc(Sc2cc(C#N)cc(C#N)c2)c(C(F)(F)F)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
FASN P49327 4/20 0.35
XDH P47989 1/20 0.34
GAA P10253 2/20 0.34
GRM5 P41594 2/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
PDE2A O00408 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4892355 0.67 PKM (0.34) FASN
SCHEMBL25983036 0.62 KIF11 (0.52) L3MBTL1XDHGRM5DGAT1SOAT1
SCHEMBL14511649 0.60 MAPT (0.37) L3MBTL1GAAKDM4EHPGDPOLB
SCHEMBL23594988 0.60 HSP90AA1 (0.48) L3MBTL1GRM5HTTKDM4EMEN1
SCHEMBL11954934 0.59 KIF11 (0.44) XDHGRM5ALDH1A1
SCHEMBL30646948 0.59 KIF11 (0.44) XDHGRM5ALDH1A1
SCHEMBL21263286 0.59 PARP1 (0.34) XDHGAAGRM5KDM4EHPGD
SCHEMBL21233669 0.59 FFAR4 (0.37) XDHGRM5KDM4EALDH1A1TP53
SCHEMBL1334073 0.58 KIF11 (0.52) XDHMEN1KMT2A
SCHEMBL4903007 0.58 MAPT (0.39) GAAKDM4EHPGDPOLBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 US disclosed
EP-1740550-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV Pfizer Limited (GB) 2007-01-10 EP disclosed
WO-2005100322-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV PFIZER LIMITED (GB) 2005-10-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 L3MBTL1 794/4885FASN 723/4885XDH 60/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.